Basic information
- CAS
362713-13-1- Standard SMILES
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cn(Cc4ccc(Cl)cc4)c4ccccc34)c(=O)n2C1c1ccc(C(C)C)cc1- InChIKey
VIXABZCXWCYFQF-UHFFFAOYSA-N- Molecular formula
- C40H34ClN3O3S
- Average molar mass
- 672.2 g/mol
- Monoisotopic mass
- 671.2009408
Names & identifiers
- Preferred name
- Ethyl 2-[[1-[(4-chlorophenyl)methyl]-1H-indol-3-yl]methylene]-2,3-dihydro-5-[4-(1-methylethyl)phenyl]-3-oxo-7-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-3-oxo-7-phenyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Names & synonyms
DTXSID301099695362713-13-1Ethyl 2-[[1-[(4-chlorophenyl)methyl]-1H-indol-3-yl]methylene]-2,3-dihydro-5-[4-(1-methylethyl)phenyl]-3-oxo-7-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
362713-13-1- PubChem CID
- 165366293
- DTXSID
DTXSID301099695
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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